CsSn
Cesium stannide is a binary intermetallic compound composed of cesium and tin. It is primarily studied in materials science research for its unique electronic properties and potential as a precursor in the synthesis of complex chalcogenide or halide materials.
CsSn
Overview
Key Properties
Cross-validated computational properties for CsSn, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
0.87–1.27 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.000 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
61
4 databases, 16 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CsSn. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
materials_project, nomad
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for CsSn, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P-43n (No. 218) | cubic | 1.27 | 0.0000 | -25.335 | 4.22 |
| I41/acd (No. 142) | tetragonal | 0.87 | 0.0013 | -25.334 | 4.42 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.02 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.52 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.37 |
| P21 (No. 4) | Monoclinic | — | — | — | 2.81 |
| P21 (No. 4) | Monoclinic | — | — | — | 2.60 |
| P1 (No. 1) | Triclinic | — | — | — | 1.87 |
| P1 (No. 1) | Triclinic | — | — | — | 2.05 |
| P1 (No. 1) | Triclinic | — | — | — | 2.57 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.79 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.67 |
Uses
Applications
Where CsSn is used.
Materials science researchSolid-state chemistry studiesPrecursor for advanced semiconductor synthesis
Reference
Frequently Asked Questions
Common questions about CsSn, answered from cross-validated data.
What is CsSn?
Cesium stannide is a binary intermetallic compound composed of cesium and tin. It is primarily studied in materials science research for its unique electronic properties and potential as a precursor in the synthesis of complex chalcogenide or halide materials.
More questions
What is CsSn used for?
CsSn is used in materials science research, solid-state chemistry studies, and precursor for advanced semiconductor synthesis.
What is the band gap of CsSn?
CsSn has a DFT-computed band gap of 0.87–1.27 eV across 61 reported structures.
Is CsSn a metal, semiconductor, or insulator?
With a band gap up to 1.27 eV it is a semiconductor.
Is CsSn thermodynamically stable?
Yes — CsSn sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of CsSn?
The lowest-energy reported polymorph of CsSn is cubic symmetry, space group P-43n (No. 218).
What is the density of CsSn?
The computed density of the ground-state structure of CsSn is 4.22 g/cm³.
How many polymorphs of CsSn are known?
61 structures of CsSn are reported across 4 databases, spanning 16 distinct space groups.
What elements does CsSn contain?
CsSn contains Cs and Sn (2 elements).
Where does the data for CsSn come from?
CsSn data is cross-referenced from materials_project, mpaloe, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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